Consensus flow list

Identity

Type
Neutral molecule
CAS
81-68-5
EC
201-369-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide

Alternative labels

22

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BXIGAWRFDMDLTL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3
IUPAC name chemrof:IUPAC_name N-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)-4-methylbenzenesulfonamide
Molecular formula chemrof:molecular_formula C22H18N2O5S
Molecular mass chemrof:molecular_mass 422.462
Monoisotopic mass chemrof:monoisotopic_mass 422.093643
SMILES string chemrof:smiles_string COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2c(c1N)C(=O)c1ccccc1C2=O

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=81-68-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.246 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.128.898 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044730 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=164933 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132037 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/09YGU3071S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.948F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66486 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236511 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
83176739-b02a-4b5b-b388-41f6d0079534 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c72692fd-4c46-4c31-a425-44ff62d75be3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ae9f058f-7886-4c95-80dd-2d9d463d4b50 Environmental → Air → Indoor EF 3.1 kg 4
53823116-54cc-427e-9355-37b8a14e079f Environmental → Air → Long-term EF 3.1 kg 0
ad5cc0dd-477f-46c6-b71f-feb04dc57026 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
de5afa60-0273-4416-bbf6-51c1450bb20e Environmental → Air → Unknown EF 3.1 kg 4
7c295c9c-07a6-451f-ae2a-bf4542827c32 Environmental → Ground → Agricultural EF 3.1 kg 4
09d00c73-63fb-4841-bc6a-40d3ce24496c Environmental → Ground → Non-agricultural EF 3.1 kg 4
eac4b7bd-a099-4325-98e7-7e898b2423ce Environmental → Ground → Unknown EF 3.1 kg 4
7f5799b1-b3bf-47b0-be1f-4b48450acfe2 Environmental → Water → Long-term EF 3.1 kg 0
3d20077c-a61a-4c5e-aa2c-2869bcacc6a5 Environmental → Water → Ocean EF 3.1 kg 4
707e2c2c-669d-4120-b51c-d2f63d91a9d3 Environmental → Water → Surface water EF 3.1 kg 4
32b6ebb9-74e9-4617-9d31-b12291459f3e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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  "properties": {
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